AG000XAE

127675-46-1 | Benzaldehyde, 3-chloro-2,4-difluoro-

AG000XAE

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CAS Number	127675-46-1
Catalog Number	AG000XAE(AGN-PC-0PILHF)
Chemical Name	Benzaldehyde, 3-chloro-2,4-difluoro-
IUPAC Name	3-chloro-2,4-difluorobenzaldehyde
InChI	InChI=1S/C7H3ClF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H
InChI Key	PDBQQCWWJXDNJO-UHFFFAOYSA-N
MDL Number	MFCD04116001
Molecular Formula	C7H3ClF2O
Molecular Weight	176.5479
SMILES	O=CC1=CC=C(F)C(Cl)=C1F
Synonyms	3-Chloro-2,4-difluorobenzaldehyde, 127675-46-1, 3-chloro-2,4-difluoro-benzaldehyde, MFCD04116001, Benzaldehyde,3-chloro-2,4-difluoro-, benzaldehyde, 3-chloro-2,4-difluoro-, PubChem2886, ACMC-20a7il, AC1MVMD1, SCHEMBL7762075, Jsp001739, CTK4B5681, DTXSID50395716, JRD-1553, ZINC2528384, ANW-60667, SBB064619, AKOS005257257, 3-chloro-2,4-difluorobenzaldehyde97%, AC-1772, JS-4337, VZ26547, 3-chloro-2,4-difluorobenzaldehyde 97%, AJ-38272, AK-87612, AN-14634, BC676103, 3 - Chloro - 2,4 - difluorobenzaldehyde, 3-chloranyl-2,4-bis(fluoranyl)benzaldehyde, AB0030516, DB-006388, RT-008650, FT-0084421, FT-0600813, ST24042001, X2714, 3-chloro-2,4-difluorobenzaldehyde, AldrichCPR, Q-8532, A805727, I01-5268, C7H3ClF2O, CID3735177,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.547g/mol
Monoisotopic Mass	175.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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